1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea

C9H13N3O3 — CID 47237458

IUPAC1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NCCO)cn1
InChIInChI=1S/C9H13N3O3/c1-15-8-3-2-7(6-11-8)12-9(14)10-4-5-13/h2-3,6,13H,4-5H2,1H3,(H2,10,12,14)
InChIKeyVEDSXUQLTZVQMU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea

1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 47237458) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
PubChem CID47237458
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NCCO)cn1
InChIInChI=1S/C9H13N3O3/c1-15-8-3-2-7(6-11-8)12-9(14)10-4-5-13/h2-3,6,13H,4-5H2,1H3,(H2,10,12,14)
InChIKeyVEDSXUQLTZVQMU-UHFFFAOYSA-N
XLogP0.20
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 74240076
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609
1-(6-methoxy-3-pyridinyl)-3-propylthiourea
CID 42992989
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47220631

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea (CID 47237458) is 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)NCCO)cn1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is VEDSXUQLTZVQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-15-8-3-2-7(6-11-8)12-9(14)10-4-5-13/h2-3,6,13H,4-5H2,1H3,(H2,10,12,14).
What are the key properties of 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea?
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 211.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47237458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).